4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide

C18H22ClN3O — CID 109216384

IUPAC4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H22ClN3O/c1-3-22(4-2)18(23)17-13-16(9-11-21-17)20-10-8-14-6-5-7-15(19)12-14/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,20,21)
InChIKeyVIXZWJSFWYNAKL-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.87
Rot. Bonds7

About 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide

4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide (PubChem CID 109216384) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
PubChem CID109216384
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C18H22ClN3O/c1-3-22(4-2)18(23)17-13-16(9-11-21-17)20-10-8-14-6-5-7-15(19)12-14/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,20,21)
InChIKeyVIXZWJSFWYNAKL-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-benzyl-5-[2-(3-chlorophenyl)ethylamino]-N-ethylpyridine-2-carboxamide
CID 109190728
4-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyridine-2-carboxamide
CID 109215470
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215333

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide (CID 109216384) is 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCCc2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is VIXZWJSFWYNAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-22(4-2)18(23)17-13-16(9-11-21-17)20-10-8-14-6-5-7-15(19)12-14/h5-7,9,11-13H,3-4,8,10H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide?
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109216384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).